3-methyl-6-prop-2-enyloxan-2-one

C9H14O2 — CID 10749399

IUPAC3-methyl-6-prop-2-enyloxan-2-one
SMILESC=CCC1CCC(C)C(=O)O1
InChIInChI=1S/C9H14O2/c1-3-4-8-6-5-7(2)9(10)11-8/h3,7-8H,1,4-6H2,2H3
InChIKeyHWOFFIOFQFEERI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds2

About 3-methyl-6-prop-2-enyloxan-2-one

3-methyl-6-prop-2-enyloxan-2-one (PubChem CID 10749399) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methyl-6-prop-2-enyloxan-2-one.

Molecular Properties

Compound Name3-methyl-6-prop-2-enyloxan-2-one
PubChem CID10749399
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-methyl-6-prop-2-enyloxan-2-one
SMILESC=CCC1CCC(C)C(=O)O1
InChIInChI=1S/C9H14O2/c1-3-4-8-6-5-7(2)9(10)11-8/h3,7-8H,1,4-6H2,2H3
InChIKeyHWOFFIOFQFEERI-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Jasmine lactone
CID 5352626
2H-Pyran-2-one, tetrahydro-6-(2-penten-1-yl)-
CID 6438070
Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one
CID 118178
(6R)-6-[(Z)-pent-2-enyl]oxan-2-one
CID 67839509
2H-Pyran-2-one, tetrahydro-6-(2-propenyl)-
CID 11073510
6-But-3-enyloxan-2-one
CID 11693935
3-ethyl-6-vinyltetrahydro-2H-pyran-2-one
CID 163360649
2-[(2R,4S)-2-[(E,2R)-4-iodobut-3-en-2-yl]-6-oxooxan-4-yl]acetaldehyde
CID 11290214
3-Allyl-6-butyltetrahydro-pyrane-2,4-dione
CID 11344852
(4R,6R)-6-[(2R)-1-hydroxypropan-2-yl]-4-prop-2-enyloxan-2-one
CID 11858826
3-Allyl-6-methyltetrahydro-pyrane-2,4-dione
CID 15470472
1-[(2S,3R,6S)-2-(2-methylpropyl)-6-prop-2-enyloxan-3-yl]ethanone
CID 101377745

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-prop-2-enyloxan-2-one?
The IUPAC name of 3-methyl-6-prop-2-enyloxan-2-one (CID 10749399) is 3-methyl-6-prop-2-enyloxan-2-one.
What is the SMILES notation for 3-methyl-6-prop-2-enyloxan-2-one?
The canonical SMILES for 3-methyl-6-prop-2-enyloxan-2-one is C=CCC1CCC(C)C(=O)O1.
What is the InChIKey of 3-methyl-6-prop-2-enyloxan-2-one?
The InChIKey is HWOFFIOFQFEERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-8-6-5-7(2)9(10)11-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 3-methyl-6-prop-2-enyloxan-2-one?
3-methyl-6-prop-2-enyloxan-2-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-prop-2-enyloxan-2-one is sourced from PubChem (CID 10749399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).